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Crystal structure of von willebrand factor (vwf) A1 domain in complex with DNA aptamer ARC1172, an inhibitor of vwf-platelet binding

Analyse Crystal structure of von willebrand factor (vwf) A1 domain in complex with DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3HXO
Type
protein + DNA
Length
239 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Von willebrand factor; Aptamer ARC1172
UniProt
P04275
Pockets
3 · best druggability 0.37

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVon willebrand factorprotein19937% helix, 21% strandP04275
BAptamer ARC1172dna40——

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.370.7715empty
2530.320.7718empty
3800.310.7313empty

Interfaces

1 interface between chains.

  • A–B · 1042 Ų buried · 38 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3HXO · Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer… · the same entry in another collection · chain A against A, TM-score 1.00

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